- InChI
- InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
- InChI Key
- OMMLUKLXGSRPHK-UHFFFAOYSA-N
- Formula
- C8H18
- SMILES
- CC(C)(C)C(C)(C)C
- Molecular Weight1
- 114.23
- CAS
- 594-82-1
- Other Names
-
- (CH3)3CC(CH3)3
- 2,2,3,3-Tetramethylbutane
- Ethane, hexamethyl-
- Hexamethylethane
- Tetramethylbutane
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- Csat : Molar heat capacity at saturation pressure (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°gas : Molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2510 | KDB | |
| ΔcH°solid | [-5451.90; -5451.50] | kJ/mol |
|
| ΔcH°solid | -5451.50 ± 1.10 | kJ/mol | NIST |
| ΔcH°solid | -5451.90 ± 1.80 | kJ/mol | NIST |
| ΔfH°gas | [-226.20; -225.90] | kJ/mol |
|
| ΔfH°gas | -226.20 | kJ/mol | NIST |
| ΔfH°gas | -225.90 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | [-269.10; -268.80] | kJ/mol |
|
| ΔfH°solid | -269.10 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | -268.80 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 1.65 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [42.90; 43.40] | kJ/mol |
|
| ΔsubH° | 43.37 ± 0.21 | kJ/mol | NIST |
| ΔsubH° | 43.40 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 42.90 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 42.90 | kJ/mol | NIST |
| ΔvapH° | [42.91; 42.94] | kJ/mol |
|
| ΔvapH° | 42.94 | kJ/mol | NIST |
| ΔvapH° | 42.91 | kJ/mol | NIST |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 123.580 | ml/mol | McGowan Calculated Property |
| Pc | 2870.00 | kPa | KDB |
| Inp | 729.00 | NIST | |
| S°gas | 389.30 ± 1.30 | J/mol×K | NIST |
| S°solid,1 bar | [256.90; 273.76] | J/mol×K |
|
| S°solid,1 bar | 273.76 | J/mol×K | NIST |
| S°solid,1 bar | 256.90 | J/mol×K | NIST |
| Tboil | [379.00; 379.95] | K |
|
| Tboil | 379.60 | K | KDB |
| Tboil | 379.70 | K | NIST |
| Tboil | Outlier 379.00 ± 2.00 | K | NIST |
| Tboil | 379.40 ± 0.30 | K | NIST |
| Tboil | 379.65 ± 0.30 | K | NIST |
| Tboil | 379.65 ± 0.60 | K | NIST |
| Tboil | 379.70 ± 0.30 | K | NIST |
| Tboil | 379.95 ± 0.60 | K | NIST |
| Tc | 567.80 | K | KDB |
| Tfus | [365.15; 377.15] | K |
|
| Tfus | 373.80 | K | KDB |
| Tfus | 373.00 ± 2.00 | K | NIST |
| Tfus | 373.90 ± 0.50 | K | NIST |
| Tfus | 374.65 ± 1.00 | K | NIST |
| Tfus | 372.44 ± 0.50 | K | NIST |
| Tfus | 374.15 ± 1.50 | K | NIST |
| Tfus | 372.44 ± 0.50 | K | NIST |
| Tfus | 374.15 ± 1.50 | K | NIST |
| Tfus | 373.84 ± 0.05 | K | NIST |
| Tfus | 372.65 ± 1.00 | K | NIST |
| Tfus | 373.99 ± 0.30 | K | NIST |
| Tfus | 374.10 ± 0.20 | K | NIST |
| Tfus | 374.25 ± 0.70 | K | NIST |
| Tfus | 374.25 ± 0.60 | K | NIST |
| Tfus | Outlier 365.15 ± 2.00 | K | NIST |
| Tfus | 374.65 ± 0.40 | K | NIST |
| Tfus | 374.35 ± 0.40 | K | NIST |
| Tfus | 377.00 ± 1.50 | K | NIST |
| Tfus | 374.20 ± 0.40 | K | NIST |
| Tfus | 374.15 ± 1.00 | K | NIST |
| Tfus | 377.15 ± 2.00 | K | NIST |
| Tfus | 376.65 ± 2.00 | K | NIST |
| Ttriple | 373.97 ± 0.07 | K | NIST |
| Vc | 0.461 | m3/kmol | KDB |
| Zc | 0.2802530 | KDB | |
| Zra | 0.27 | KDB |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.87; 319.38] | J/mol×K | [375.98; 562.03] |
|
| Cp,gas | 233.87 | J/mol×K | 375.98 | Joback Calculated Property |
| Cp,gas | 250.27 | J/mol×K | 406.99 | Joback Calculated Property |
| Cp,gas | 265.77 | J/mol×K | 438.00 | Joback Calculated Property |
| Cp,gas | 280.38 | J/mol×K | 469.01 | Joback Calculated Property |
| Cp,gas | 294.16 | J/mol×K | 500.01 | Joback Calculated Property |
| Cp,gas | 307.15 | J/mol×K | 531.02 | Joback Calculated Property |
| Cp,gas | 319.38 | J/mol×K | 562.03 | Joback Calculated Property |
| Cp,solid | [232.20; 239.62] | J/mol×K | [295.40; 301.60] |
|
| Cp,solid | 232.20 | J/mol×K | 295.40 | NIST |
| Cp,solid | 239.62 | J/mol×K | 301.60 | NIST |
| Csat | [279.90; 281.70] | J/mol×K | [375.00; 378.00] |
|
| Csat | 279.90 | J/mol×K | 375.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Csat | 281.70 | J/mol×K | 378.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| η | [0.0003175; 0.0223115] | Pa×s | [184.76; 375.98] |
|
| η | 0.0223115 | Pa×s | 184.76 | Joback Calculated Property |
| η | 0.0065211 | Pa×s | 216.63 | Joback Calculated Property |
| η | 0.0026130 | Pa×s | 248.50 | Joback Calculated Property |
| η | 0.0012890 | Pa×s | 280.37 | Joback Calculated Property |
| η | 0.0007345 | Pa×s | 312.24 | Joback Calculated Property |
| η | 0.0004645 | Pa×s | 344.11 | Joback Calculated Property |
| η | 0.0003175 | Pa×s | 375.98 | Joback Calculated Property |
| ΔfusH | [2.00; 7.54] | kJ/mol | [152.50; 373.90] |
|
| ΔfusH | 2.00 | kJ/mol | 152.50 | NIST |
| ΔfusH | 7.54 | kJ/mol | 373.90 | NIST |
| ΔfusH | 7.54 | kJ/mol | 373.90 | NIST |
| ΔsubH | [43.60; 56.20] | kJ/mol | [271.00; 331.50] |
|
| ΔsubH | 56.20 | kJ/mol | 271.00 | NIST |
| ΔsubH | 43.60 | kJ/mol | 331.50 | NIST |
| ΔvapH | [31.42; 333.00] | kJ/mol | [379.60; 383.50] |
|
| ΔvapH | 31.42 | kJ/mol | 379.60 | KDB |
| ΔvapH | 333.00 | kJ/mol | 383.50 | NIST |
| ΔfusS | [13.11; 20.16] | J/mol×K | [152.50; 373.90] |
|
| ΔfusS | 13.11 | J/mol×K | 152.50 | NIST |
| ΔfusS | 20.16 | J/mol×K | 373.90 | NIST |
| γ | 0.02 | N/m | 298.20 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.70 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [280.62; 405.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.31777e+01 | |||
| Coefficient B | -2.51762e+03 | |||
| Coefficient C | -8.53050e+01 | |||
| Temperature range, min. | 280.62 | |||
| Temperature range, max. | 405.36 | |||
| Pvap | 1.33 | kPa | 280.62 | Calculated Property |
| Pvap | 3.13 | kPa | 294.48 | Calculated Property |
| Pvap | 6.62 | kPa | 308.34 | Calculated Property |
| Pvap | 12.81 | kPa | 322.20 | Calculated Property |
| Pvap | 23.05 | kPa | 336.06 | Calculated Property |
| Pvap | 39.00 | kPa | 349.92 | Calculated Property |
| Pvap | 62.62 | kPa | 363.78 | Calculated Property |
| Pvap | 96.12 | kPa | 377.64 | Calculated Property |
| Pvap | 141.95 | kPa | 391.50 | Calculated Property |
| Pvap | 202.66 | kPa | 405.36 | Calculated Property |
| Pvap | [0.41; 2889.39] | kPa | [270.00; 567.80] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.32058e+02 | |||
| Coefficient B | -9.96316e+03 | |||
| Coefficient C | -1.72776e+01 | |||
| Coefficient D | 9.39147e-06 | |||
| Temperature range, min. | 270.00 | |||
| Temperature range, max. | 567.80 | |||
| Pvap | 0.41 | kPa | 270.00 | Calculated Property |
| Pvap | 3.76 | kPa | 303.09 | Calculated Property |
| Pvap | 19.46 | kPa | 336.18 | Calculated Property |
| Pvap | 68.12 | kPa | 369.27 | Calculated Property |
| Pvap | 180.77 | kPa | 402.36 | Calculated Property |
| Pvap | 392.98 | kPa | 435.44 | Calculated Property |
| Pvap | 738.89 | kPa | 468.53 | Calculated Property |
| Pvap | 1249.24 | kPa | 501.62 | Calculated Property |
| Pvap | 1954.22 | kPa | 534.71 | Calculated Property |
| Pvap | 2889.39 | kPa | 567.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2,2,3,3-tetramethyl-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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